| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.06 | 5.74 | -14.63 | 2 | 7 | 0 | 88 | 393.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.99 | -59.31 | 0 | 7 | -1 | 87 | 392.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 6.2 | -46.56 | 0 | 7 | -1 | 87 | 392.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.64 | -46.1 | 1 | 7 | -1 | 91 | 392.435 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 6.51 | -54.52 | 1 | 7 | -1 | 91 | 392.435 | 7 | ↓ |
